SCHEMBL836681

SCHEMBL836681

CC(=O)Nc1ccc(S(C)(=O)=NC(=O)c2cncc(C#Cc3ccc(Br)cc3)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.51
PDGFRB P09619 9/20 0.51
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
IDO1 P14902 2/20 0.42
FAAH O00519 1/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL836264 0.91 KDR (0.61) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL834710 0.90 KDR (0.55) KDRPDGFRBALDH1A1RAB9A
SCHEMBL835900 0.90 KDR (0.51) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL836845 0.90 KDR (0.52) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL14713183 0.90 KDR (0.57) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL834627 0.90 KDR (0.58) KDRPDGFRBSMN1; SMN2IDO1
SCHEMBL835116 0.89 KDR (0.49) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL833393 0.89 KMT2A (0.50) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL1478529 0.88 KDR (0.52) KDRPDGFRBSMN1; SMN2KDM4EMEN1
SCHEMBL834805 0.88 KDR (0.49) KDRPDGFRBSMN1; SMN2KDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2099757-B1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN INC (US) 2014-06-25 EP disclosed
US-8383825-B2 Kinase inhibitors ALLERGAN, INC. (US) 2013-02-26 US disclosed
US-20120207810-A1 Kinase Inhibitors SPADA LON T (US) 2012-08-16 US disclosed
US-8143410-B2 Kinase inhibitors ALLERGAN, INC. (US) 2012-03-27 US disclosed
US-20110263611-A1 Kinase Inhibitors ALLERGAN, INC. 2011-10-27 US disclosed
US-7915443-B2 Sulfoximines as kinase inhibitors ALLERGAN, INC. (US) 2011-03-29 US disclosed
US-20090196906-A1 Kinase inhibitors ALLERGAN, INC. 2009-08-06 US disclosed
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS ALLERGAN, INC. 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110263611-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SMN1; SMN2 4781/4885
US-20120207810-A1 Kinase Inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SMN1; SMN2 4781/4885
US-20090196906-A1 Kinase inhibitors PTK2, MAP3K6, MAP3K20 KDR 51/4885PDGFRB 368/4885SMN1; SMN2 4781/4885
US-20090099181-A1 SULFOXIMINES AS KINASE INHIBITORS SRC, PTK2B, TYRO3 KDR 321/4885PDGFRB 409/4885SMN1; SMN2 4303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.